1-(cyclopropylmethoxy)-3-methoxypropan-2-ol

C8H16O3 — CID 59975026

IUPAC1-(cyclopropylmethoxy)-3-methoxypropan-2-ol
SMILESCOCC(O)COCC1CC1
InChIInChI=1S/C8H16O3/c1-10-5-8(9)6-11-4-7-2-3-7/h7-9H,2-6H2,1H3
InChIKeyLDCNYMXFULXAGE-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.42
Rot. Bonds6

About 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol

1-(cyclopropylmethoxy)-3-methoxypropan-2-ol (PubChem CID 59975026) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-methoxypropan-2-ol
PubChem CID59975026
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(cyclopropylmethoxy)-3-methoxypropan-2-ol
SMILESCOCC(O)COCC1CC1
InChIInChI=1S/C8H16O3/c1-10-5-8(9)6-11-4-7-2-3-7/h7-9H,2-6H2,1H3
InChIKeyLDCNYMXFULXAGE-UHFFFAOYSA-N
XLogP0.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
CID 58856737
1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol
CID 106991203
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 62086788
(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol
CID 95357731
1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909850
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol (CID 59975026) is 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol is COCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol?
The InChIKey is LDCNYMXFULXAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-10-5-8(9)6-11-4-7-2-3-7/h7-9H,2-6H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol?
1-(cyclopropylmethoxy)-3-methoxypropan-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-methoxypropan-2-ol is sourced from PubChem (CID 59975026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).